USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot -88:sc= -2.33! USER MOD Single : A 2 C O2' : rot -89:sc= 0.67 USER MOD Single : A 3 C O2' : rot 50:sc= -5.7! USER MOD Single : A 4 C O2' : rot 180:sc= -0.608 USER MOD Single : A 5 U O2' : rot -21:sc= -0.199 USER MOD Single : A 6 G O2' : rot -175:sc= 0.124 USER MOD Single : A 7 A O2' : rot 180:sc= -5.08! USER MOD Single : A 8 A O2' : rot 58:sc= -3.04! USER MOD Single : A 9 A O2' : rot -15:sc= 0.137 USER MOD Single : A 10 A O2' : rot -23:sc= 0.151 USER MOD Single : A 11 A O2' : rot -84:sc= -0.768! USER MOD Single : A 12 G O2' : rot 44:sc= -4.57! USER MOD Single : A 13 G O2' : rot -170:sc= -2.76 USER MOD Single : A 14 G O2' : rot -148:sc= -2.01! USER MOD Single : A 15 C O2' : rot -12:sc= 0.161 USER MOD Single : A 15 C O3' : rot 180:sc= 0.185 USER MOD Single : B 4 GLN : amide:sc= -3.81 X(o=-3.8,f=-4!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.012 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN :FLIP amide:sc= -2.55 F(o=-3.9,f=-2.6) USER MOD Single : B 17 GLN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 179:sc= -1.04 (180deg=-1.06) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.24! C(o=-5.9!,f=-5.2!) USER MOD Single : B 29 SER OG : rot 180:sc= 0.0882 USER MOD Single : B 31 LYS NZ :NH3+ -118:sc= -0.0332 (180deg=-0.307) USER MOD Single : B 34 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.479 -13.290 -0.620 1.00 0.76 N ATOM 2 CA ASP B 2 9.844 -12.444 0.434 1.00 0.88 C ATOM 3 C ASP B 2 8.354 -12.764 0.539 1.00 0.68 C ATOM 4 O ASP B 2 7.898 -13.807 0.112 1.00 0.66 O ATOM 5 CB ASP B 2 10.043 -10.996 -0.025 1.00 1.25 C ATOM 6 CG ASP B 2 11.516 -10.756 -0.367 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.925 -11.147 -1.448 1.00 2.37 O ATOM 8 OD2 ASP B 2 12.210 -10.184 0.458 1.00 2.35 O ATOM 0 HA ASP B 2 10.284 -12.621 1.415 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.420 -10.793 -0.896 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.726 -10.310 0.760 1.00 1.25 H new ATOM 15 N ALA B 3 7.600 -11.868 1.104 1.00 0.63 N ATOM 16 CA ALA B 3 6.132 -12.099 1.246 1.00 0.58 C ATOM 17 C ALA B 3 5.392 -10.766 1.308 1.00 0.63 C ATOM 18 O ALA B 3 4.356 -10.595 0.694 1.00 0.61 O ATOM 19 CB ALA B 3 5.976 -12.873 2.555 1.00 0.75 C ATOM 0 H ALA B 3 7.935 -10.980 1.477 1.00 0.63 H new ATOM 0 HA ALA B 3 5.715 -12.648 0.402 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.921 -13.082 2.731 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.526 -13.812 2.490 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.370 -12.278 3.379 1.00 0.75 H new ATOM 25 N GLN B 4 5.916 -9.817 2.029 1.00 0.75 N ATOM 26 CA GLN B 4 5.237 -8.494 2.107 1.00 0.89 C ATOM 27 C GLN B 4 5.324 -7.813 0.758 1.00 0.79 C ATOM 28 O GLN B 4 4.325 -7.445 0.172 1.00 0.81 O ATOM 29 CB GLN B 4 6.005 -7.700 3.159 1.00 1.09 C ATOM 30 CG GLN B 4 5.303 -6.363 3.400 1.00 1.29 C ATOM 31 CD GLN B 4 6.083 -5.555 4.437 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.727 -6.115 5.301 1.00 1.14 O ATOM 33 NE2 GLN B 4 6.053 -4.252 4.385 1.00 0.94 N ATOM 0 H GLN B 4 6.780 -9.898 2.565 1.00 0.75 H new ATOM 0 HA GLN B 4 4.183 -8.579 2.370 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.061 -8.266 4.089 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.029 -7.531 2.827 1.00 1.09 H new ATOM 0 HG2 GLN B 4 5.232 -5.804 2.467 1.00 1.29 H new ATOM 0 HG3 GLN B 4 4.284 -6.533 3.748 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.512 -3.783 3.659 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.571 -3.702 5.071 1.00 0.94 H new ATOM 42 N THR B 5 6.513 -7.667 0.244 1.00 0.76 N ATOM 43 CA THR B 5 6.657 -7.040 -1.098 1.00 0.79 C ATOM 44 C THR B 5 5.682 -7.737 -2.041 1.00 0.59 C ATOM 45 O THR B 5 5.056 -7.125 -2.885 1.00 0.57 O ATOM 46 CB THR B 5 8.100 -7.298 -1.519 1.00 0.94 C ATOM 47 OG1 THR B 5 8.982 -6.794 -0.526 1.00 1.26 O ATOM 48 CG2 THR B 5 8.358 -6.595 -2.844 1.00 0.94 C ATOM 0 H THR B 5 7.384 -7.952 0.691 1.00 0.76 H new ATOM 0 HA THR B 5 6.443 -5.971 -1.105 1.00 0.79 H new ATOM 0 HB THR B 5 8.269 -8.369 -1.632 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.909 -6.962 -0.796 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.387 -6.772 -3.156 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.677 -6.985 -3.601 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.194 -5.524 -2.726 1.00 0.94 H new ATOM 56 N ARG B 6 5.516 -9.017 -1.849 1.00 0.48 N ATOM 57 CA ARG B 6 4.543 -9.782 -2.671 1.00 0.46 C ATOM 58 C ARG B 6 3.147 -9.342 -2.279 1.00 0.43 C ATOM 59 O ARG B 6 2.292 -9.097 -3.108 1.00 0.45 O ATOM 60 CB ARG B 6 4.717 -11.241 -2.265 1.00 0.56 C ATOM 61 CG ARG B 6 5.232 -12.056 -3.454 1.00 0.78 C ATOM 62 CD ARG B 6 4.545 -13.424 -3.473 1.00 1.03 C ATOM 63 NE ARG B 6 5.032 -14.118 -2.244 1.00 0.88 N ATOM 64 CZ ARG B 6 4.519 -15.268 -1.878 1.00 0.73 C ATOM 65 NH1 ARG B 6 3.569 -15.831 -2.581 1.00 1.26 N ATOM 66 NH2 ARG B 6 4.959 -15.857 -0.800 1.00 1.43 N ATOM 0 H ARG B 6 6.018 -9.567 -1.152 1.00 0.48 H new ATOM 0 HA ARG B 6 4.694 -9.631 -3.740 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.417 -11.315 -1.432 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.766 -11.647 -1.919 1.00 0.56 H new ATOM 0 HG2 ARG B 6 5.034 -11.525 -4.385 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.312 -12.181 -3.382 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.460 -13.321 -3.464 1.00 1.03 H new ATOM 0 HD3 ARG B 6 4.805 -13.984 -4.372 1.00 1.03 H new ATOM 0 HE ARG B 6 5.771 -13.693 -1.684 1.00 0.88 H new ATOM 0 HH11 ARG B 6 3.220 -15.375 -3.424 1.00 1.26 H new ATOM 0 HH12 ARG B 6 3.178 -16.726 -2.286 1.00 1.26 H new ATOM 0 HH21 ARG B 6 5.698 -15.423 -0.247 1.00 1.43 H new ATOM 0 HH22 ARG B 6 4.564 -16.752 -0.510 1.00 1.43 H new ATOM 80 N ARG B 7 2.916 -9.254 -0.997 1.00 0.61 N ATOM 81 CA ARG B 7 1.578 -8.846 -0.514 1.00 0.80 C ATOM 82 C ARG B 7 1.222 -7.481 -1.112 1.00 0.65 C ATOM 83 O ARG B 7 0.082 -7.208 -1.432 1.00 0.56 O ATOM 84 CB ARG B 7 1.719 -8.783 1.012 1.00 1.16 C ATOM 85 CG ARG B 7 0.545 -8.012 1.638 1.00 1.10 C ATOM 86 CD ARG B 7 0.986 -7.408 2.976 1.00 0.92 C ATOM 87 NE ARG B 7 0.816 -5.929 2.814 1.00 0.41 N ATOM 88 CZ ARG B 7 1.731 -5.214 2.210 1.00 0.93 C ATOM 89 NH1 ARG B 7 2.812 -5.773 1.734 1.00 1.08 N ATOM 90 NH2 ARG B 7 1.559 -3.927 2.082 1.00 1.61 N ATOM 0 H ARG B 7 3.601 -9.449 -0.267 1.00 0.61 H new ATOM 0 HA ARG B 7 0.781 -9.531 -0.804 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.755 -9.793 1.420 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.659 -8.299 1.275 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.213 -7.224 0.963 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.303 -8.680 1.790 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.379 -7.786 3.798 1.00 0.92 H new ATOM 0 HD3 ARG B 7 2.022 -7.663 3.201 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.021 -5.474 3.178 1.00 0.41 H new ATOM 0 HH11 ARG B 7 2.951 -6.779 1.831 1.00 1.08 H new ATOM 0 HH12 ARG B 7 3.517 -5.203 1.266 1.00 1.08 H new ATOM 0 HH21 ARG B 7 0.717 -3.486 2.451 1.00 1.61 H new ATOM 0 HH22 ARG B 7 2.267 -3.362 1.613 1.00 1.61 H new ATOM 104 N ARG B 8 2.202 -6.632 -1.281 1.00 0.68 N ATOM 105 CA ARG B 8 1.943 -5.286 -1.877 1.00 0.67 C ATOM 106 C ARG B 8 1.269 -5.457 -3.223 1.00 0.48 C ATOM 107 O ARG B 8 0.326 -4.761 -3.548 1.00 0.50 O ATOM 108 CB ARG B 8 3.325 -4.654 -2.045 1.00 0.77 C ATOM 109 CG ARG B 8 3.199 -3.132 -2.094 1.00 0.73 C ATOM 110 CD ARG B 8 3.063 -2.577 -0.673 1.00 0.73 C ATOM 111 NE ARG B 8 4.256 -3.093 0.062 1.00 0.85 N ATOM 112 CZ ARG B 8 5.448 -2.592 -0.157 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.620 -1.628 -1.024 1.00 1.43 N ATOM 114 NH2 ARG B 8 6.475 -3.060 0.499 1.00 1.16 N ATOM 0 H ARG B 8 3.174 -6.813 -1.031 1.00 0.68 H new ATOM 0 HA ARG B 8 1.292 -4.668 -1.259 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.972 -4.948 -1.218 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.792 -5.018 -2.960 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.074 -2.701 -2.580 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.331 -2.849 -2.690 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.043 -1.487 -0.676 1.00 0.73 H new ATOM 0 HD3 ARG B 8 2.137 -2.912 -0.206 1.00 0.73 H new ATOM 0 HE ARG B 8 4.142 -3.844 0.743 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.822 -1.257 -1.539 1.00 1.43 H new ATOM 0 HH12 ARG B 8 6.552 -1.247 -1.185 1.00 1.43 H new ATOM 0 HH21 ARG B 8 6.348 -3.811 1.177 1.00 1.16 H new ATOM 0 HH22 ARG B 8 7.405 -2.675 0.333 1.00 1.16 H new ATOM 128 N GLU B 9 1.712 -6.403 -3.992 1.00 0.38 N ATOM 129 CA GLU B 9 1.044 -6.639 -5.297 1.00 0.34 C ATOM 130 C GLU B 9 -0.403 -7.006 -5.006 1.00 0.31 C ATOM 131 O GLU B 9 -1.307 -6.688 -5.753 1.00 0.34 O ATOM 132 CB GLU B 9 1.798 -7.797 -5.954 1.00 0.40 C ATOM 133 CG GLU B 9 3.249 -7.379 -6.221 1.00 0.59 C ATOM 134 CD GLU B 9 3.516 -7.383 -7.728 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.962 -6.537 -8.410 1.00 1.88 O ATOM 136 OE2 GLU B 9 4.272 -8.231 -8.173 1.00 1.73 O ATOM 0 H GLU B 9 2.498 -7.018 -3.779 1.00 0.38 H new ATOM 0 HA GLU B 9 1.053 -5.773 -5.958 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.775 -8.674 -5.307 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.312 -8.078 -6.888 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.433 -6.386 -5.812 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.933 -8.063 -5.719 1.00 0.59 H new ATOM 143 N ARG B 10 -0.624 -7.625 -3.881 1.00 0.31 N ATOM 144 CA ARG B 10 -2.005 -7.964 -3.478 1.00 0.38 C ATOM 145 C ARG B 10 -2.668 -6.700 -2.940 1.00 0.35 C ATOM 146 O ARG B 10 -3.874 -6.624 -2.814 1.00 0.40 O ATOM 147 CB ARG B 10 -1.862 -9.017 -2.377 1.00 0.46 C ATOM 148 CG ARG B 10 -2.420 -10.352 -2.869 1.00 0.73 C ATOM 149 CD ARG B 10 -1.848 -11.489 -2.018 1.00 0.67 C ATOM 150 NE ARG B 10 -2.805 -12.621 -2.188 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.604 -13.764 -1.576 1.00 2.12 C ATOM 152 NH1 ARG B 10 -1.561 -13.935 -0.804 1.00 3.14 N ATOM 153 NH2 ARG B 10 -3.454 -14.740 -1.739 1.00 2.20 N ATOM 0 H ARG B 10 0.101 -7.910 -3.223 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.614 -8.344 -4.299 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.813 -9.129 -2.101 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.395 -8.696 -1.482 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.508 -10.349 -2.807 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.161 -10.502 -3.917 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.847 -11.765 -2.351 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.766 -11.196 -0.971 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.623 -12.505 -2.786 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -0.894 -13.175 -0.673 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -1.416 -14.828 -0.334 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -4.269 -14.612 -2.339 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -3.304 -15.631 -1.266 1.00 2.20 H new ATOM 167 N ARG B 11 -1.883 -5.692 -2.640 1.00 0.29 N ATOM 168 CA ARG B 11 -2.474 -4.431 -2.134 1.00 0.29 C ATOM 169 C ARG B 11 -2.770 -3.492 -3.297 1.00 0.24 C ATOM 170 O ARG B 11 -3.268 -2.406 -3.097 1.00 0.25 O ATOM 171 CB ARG B 11 -1.426 -3.803 -1.219 1.00 0.32 C ATOM 172 CG ARG B 11 -1.206 -4.671 0.028 1.00 0.41 C ATOM 173 CD ARG B 11 -2.539 -4.928 0.745 1.00 0.55 C ATOM 174 NE ARG B 11 -2.641 -6.415 0.842 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.714 -6.983 1.341 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.719 -6.260 1.764 1.00 3.24 N ATOM 177 NH2 ARG B 11 -3.780 -8.284 1.415 1.00 1.76 N ATOM 0 H ARG B 11 -0.867 -5.696 -2.726 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.408 -4.616 -1.604 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.486 -3.688 -1.759 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.747 -2.805 -0.922 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.751 -5.619 -0.257 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.511 -4.175 0.706 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.553 -4.466 1.732 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.376 -4.510 0.186 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.868 -6.996 0.517 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.674 -5.243 1.708 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -5.547 -6.714 2.150 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.000 -8.854 1.086 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -4.611 -8.731 1.802 1.00 1.76 H new ATOM 191 N ALA B 12 -2.492 -3.894 -4.515 1.00 0.24 N ATOM 192 CA ALA B 12 -2.803 -2.991 -5.667 1.00 0.28 C ATOM 193 C ALA B 12 -4.270 -2.574 -5.564 1.00 0.31 C ATOM 194 O ALA B 12 -4.659 -1.506 -5.995 1.00 0.33 O ATOM 195 CB ALA B 12 -2.556 -3.829 -6.922 1.00 0.34 C ATOM 0 H ALA B 12 -2.071 -4.791 -4.758 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.195 -2.086 -5.684 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.765 -3.229 -7.807 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.516 -4.156 -6.942 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.210 -4.701 -6.912 1.00 0.34 H new ATOM 201 N GLU B 13 -5.075 -3.403 -4.950 1.00 0.34 N ATOM 202 CA GLU B 13 -6.505 -3.052 -4.764 1.00 0.41 C ATOM 203 C GLU B 13 -6.604 -2.023 -3.642 1.00 0.38 C ATOM 204 O GLU B 13 -7.425 -1.129 -3.676 1.00 0.42 O ATOM 205 CB GLU B 13 -7.202 -4.356 -4.374 1.00 0.48 C ATOM 206 CG GLU B 13 -7.028 -5.385 -5.493 1.00 0.52 C ATOM 207 CD GLU B 13 -8.288 -6.246 -5.600 1.00 0.77 C ATOM 208 OE1 GLU B 13 -8.739 -6.732 -4.575 1.00 1.15 O ATOM 209 OE2 GLU B 13 -8.781 -6.406 -6.705 1.00 1.18 O ATOM 0 H GLU B 13 -4.798 -4.308 -4.571 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.962 -2.624 -5.656 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.783 -4.740 -3.444 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.262 -4.174 -4.195 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -6.840 -4.879 -6.440 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.162 -6.014 -5.290 1.00 0.52 H new ATOM 216 N LYS B 14 -5.738 -2.120 -2.662 1.00 0.33 N ATOM 217 CA LYS B 14 -5.748 -1.122 -1.561 1.00 0.33 C ATOM 218 C LYS B 14 -5.056 0.138 -2.075 1.00 0.28 C ATOM 219 O LYS B 14 -5.424 1.253 -1.765 1.00 0.30 O ATOM 220 CB LYS B 14 -4.941 -1.769 -0.431 1.00 0.31 C ATOM 221 CG LYS B 14 -5.611 -3.073 0.007 1.00 0.38 C ATOM 222 CD LYS B 14 -6.951 -2.761 0.678 1.00 1.23 C ATOM 223 CE LYS B 14 -7.601 -4.062 1.162 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.954 -4.072 0.541 1.00 1.83 N ATOM 0 H LYS B 14 -5.028 -2.848 -2.582 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.746 -0.850 -1.217 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.923 -1.968 -0.767 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.870 -1.085 0.415 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.767 -3.721 -0.855 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -4.963 -3.612 0.698 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.799 -2.084 1.519 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.611 -2.253 -0.025 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -7.020 -4.931 0.855 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.666 -4.090 2.250 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.461 -4.934 0.827 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.487 -3.237 0.857 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -8.861 -4.052 -0.495 1.00 1.83 H new ATOM 238 N GLN B 15 -4.059 -0.063 -2.888 1.00 0.25 N ATOM 239 CA GLN B 15 -3.303 1.063 -3.489 1.00 0.24 C ATOM 240 C GLN B 15 -4.163 1.760 -4.535 1.00 0.28 C ATOM 241 O GLN B 15 -4.292 2.962 -4.543 1.00 0.28 O ATOM 242 CB GLN B 15 -2.100 0.383 -4.152 1.00 0.24 C ATOM 243 CG GLN B 15 -0.832 0.705 -3.367 1.00 0.25 C ATOM 244 CD GLN B 15 0.176 -0.428 -3.556 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.084 -1.600 -3.045 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.206 -0.246 -4.173 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.730 -0.987 -3.167 1.00 0.25 H new ATOM 0 HA GLN B 15 -3.009 1.821 -2.763 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.253 -0.696 -4.188 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.999 0.725 -5.182 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.406 1.648 -3.711 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -1.066 0.828 -2.309 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.407 0.671 -4.571 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.871 -1.010 -4.293 1.00 0.33 H new ATOM 255 N ALA B 16 -4.750 1.010 -5.418 1.00 0.35 N ATOM 256 CA ALA B 16 -5.608 1.637 -6.466 1.00 0.41 C ATOM 257 C ALA B 16 -6.851 2.244 -5.821 1.00 0.40 C ATOM 258 O ALA B 16 -7.402 3.209 -6.312 1.00 0.43 O ATOM 259 CB ALA B 16 -5.984 0.502 -7.418 1.00 0.48 C ATOM 0 H ALA B 16 -4.677 -0.006 -5.464 1.00 0.35 H new ATOM 0 HA ALA B 16 -5.097 2.442 -6.994 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.616 0.891 -8.216 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -5.079 0.073 -7.848 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.525 -0.269 -6.869 1.00 0.48 H new ATOM 265 N GLN B 17 -7.282 1.712 -4.706 1.00 0.40 N ATOM 266 CA GLN B 17 -8.469 2.306 -4.031 1.00 0.42 C ATOM 267 C GLN B 17 -8.007 3.547 -3.286 1.00 0.37 C ATOM 268 O GLN B 17 -8.696 4.545 -3.211 1.00 0.40 O ATOM 269 CB GLN B 17 -8.969 1.237 -3.059 1.00 0.45 C ATOM 270 CG GLN B 17 -9.921 0.282 -3.787 1.00 0.53 C ATOM 271 CD GLN B 17 -11.343 0.465 -3.252 1.00 0.66 C ATOM 272 OE1 GLN B 17 -12.002 -0.495 -2.904 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.850 1.665 -3.174 1.00 1.33 N ATOM 0 H GLN B 17 -6.869 0.904 -4.241 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.262 2.594 -4.721 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -8.126 0.682 -2.648 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.481 1.706 -2.219 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.898 0.477 -4.859 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.598 -0.749 -3.643 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.298 2.472 -3.466 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.798 1.796 -2.821 1.00 1.33 H new ATOM 282 N TRP B 18 -6.815 3.491 -2.768 1.00 0.32 N ATOM 283 CA TRP B 18 -6.246 4.660 -2.056 1.00 0.30 C ATOM 284 C TRP B 18 -5.787 5.682 -3.087 1.00 0.31 C ATOM 285 O TRP B 18 -6.066 6.861 -2.995 1.00 0.35 O ATOM 286 CB TRP B 18 -5.029 4.111 -1.312 1.00 0.25 C ATOM 287 CG TRP B 18 -4.274 5.255 -0.720 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.378 5.715 0.543 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.305 6.095 -1.377 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.528 6.803 0.687 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.841 7.064 -0.472 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.792 6.094 -2.667 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.890 8.008 -0.847 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.844 7.028 -3.050 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.391 7.985 -2.150 1.00 0.38 C ATOM 0 H TRP B 18 -6.205 2.674 -2.809 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.960 5.137 -1.385 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.344 3.421 -0.529 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.391 3.549 -1.994 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -5.015 5.306 1.313 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.427 7.342 1.547 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -3.136 5.358 -3.379 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.543 8.747 -0.140 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.453 7.013 -4.057 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.653 8.711 -2.459 1.00 0.38 H new ATOM 306 N LYS B 19 -5.075 5.217 -4.069 1.00 0.30 N ATOM 307 CA LYS B 19 -4.563 6.117 -5.133 1.00 0.37 C ATOM 308 C LYS B 19 -5.741 6.784 -5.808 1.00 0.46 C ATOM 309 O LYS B 19 -5.681 7.930 -6.210 1.00 0.70 O ATOM 310 CB LYS B 19 -3.825 5.210 -6.121 1.00 0.40 C ATOM 311 CG LYS B 19 -2.463 4.791 -5.558 1.00 0.49 C ATOM 312 CD LYS B 19 -1.754 3.882 -6.565 1.00 0.96 C ATOM 313 CE LYS B 19 -0.697 4.685 -7.328 1.00 1.30 C ATOM 314 NZ LYS B 19 0.373 3.700 -7.650 1.00 1.92 N ATOM 0 H LYS B 19 -4.822 4.235 -4.181 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.904 6.895 -4.748 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.426 4.325 -6.329 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.688 5.731 -7.068 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.854 5.672 -5.356 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.594 4.269 -4.610 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.285 3.045 -6.047 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -2.478 3.461 -7.262 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -1.113 5.126 -8.234 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -0.310 5.505 -6.723 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.128 4.171 -8.189 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.766 3.314 -6.768 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 -0.027 2.926 -8.218 1.00 1.92 H new ATOM 328 N ALA B 20 -6.824 6.071 -5.925 1.00 0.44 N ATOM 329 CA ALA B 20 -8.016 6.666 -6.565 1.00 0.52 C ATOM 330 C ALA B 20 -8.477 7.882 -5.767 1.00 0.56 C ATOM 331 O ALA B 20 -9.033 8.819 -6.306 1.00 0.74 O ATOM 332 CB ALA B 20 -9.083 5.580 -6.533 1.00 0.55 C ATOM 0 H ALA B 20 -6.931 5.108 -5.606 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.811 6.998 -7.583 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.997 5.955 -6.993 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.731 4.708 -7.083 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -9.286 5.299 -5.499 1.00 0.55 H new ATOM 338 N ALA B 21 -8.248 7.873 -4.479 1.00 0.54 N ATOM 339 CA ALA B 21 -8.670 9.029 -3.641 1.00 0.66 C ATOM 340 C ALA B 21 -7.463 9.662 -2.963 1.00 0.73 C ATOM 341 O ALA B 21 -7.567 10.281 -1.923 1.00 0.99 O ATOM 342 CB ALA B 21 -9.639 8.451 -2.611 1.00 0.71 C ATOM 0 H ALA B 21 -7.788 7.115 -3.974 1.00 0.54 H new ATOM 0 HA ALA B 21 -9.140 9.815 -4.233 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.992 9.248 -1.957 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.488 7.999 -3.124 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -9.129 7.693 -2.017 1.00 0.71 H new ATOM 348 N ASN B 22 -6.327 9.529 -3.570 1.00 0.73 N ATOM 349 CA ASN B 22 -5.090 10.138 -3.001 1.00 0.88 C ATOM 350 C ASN B 22 -4.071 10.433 -4.107 1.00 1.08 C ATOM 351 O ASN B 22 -2.915 10.076 -3.996 1.00 0.00 O ATOM 352 CB ASN B 22 -4.525 9.115 -2.023 1.00 0.93 C ATOM 353 CG ASN B 22 -5.481 8.949 -0.844 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.956 7.770 -0.581 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -5.798 9.903 -0.161 1.00 0.94 N flip ATOM 0 H ASN B 22 -6.194 9.021 -4.444 1.00 0.73 H new ATOM 0 HA ASN B 22 -5.310 11.085 -2.508 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.381 8.158 -2.525 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.547 9.439 -1.668 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -5.422 10.828 -0.371 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -6.440 9.779 0.622 1.00 0.94 H new ATOM 362 N PRO B 23 -4.527 11.110 -5.126 1.00 0.00 N ATOM 363 CA PRO B 23 -3.636 11.494 -6.238 1.00 0.00 C ATOM 364 C PRO B 23 -2.689 12.564 -5.709 1.00 0.00 C ATOM 365 O PRO B 23 -1.568 12.705 -6.154 1.00 0.00 O ATOM 366 CB PRO B 23 -4.586 12.040 -7.300 1.00 0.00 C ATOM 367 CG PRO B 23 -5.794 12.477 -6.540 1.00 0.00 C ATOM 368 CD PRO B 23 -5.889 11.588 -5.327 1.00 0.00 C ATOM 0 HA PRO B 23 -3.026 10.688 -6.646 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -4.137 12.872 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.837 11.277 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.709 13.523 -6.247 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.690 12.390 -7.155 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.250 12.138 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.581 10.762 -5.492 1.00 0.00 H new ATOM 376 N LEU B 24 -3.140 13.294 -4.721 1.00 0.00 N ATOM 377 CA LEU B 24 -2.278 14.340 -4.099 1.00 0.00 C ATOM 378 C LEU B 24 -1.015 13.674 -3.554 1.00 0.00 C ATOM 379 O LEU B 24 0.065 14.229 -3.584 1.00 0.00 O ATOM 380 CB LEU B 24 -3.139 14.948 -2.972 1.00 0.00 C ATOM 381 CG LEU B 24 -2.922 14.210 -1.632 1.00 0.00 C ATOM 382 CD1 LEU B 24 -3.523 15.045 -0.500 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.607 12.831 -1.659 1.00 0.00 C ATOM 0 H LEU B 24 -4.073 13.209 -4.318 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.956 15.113 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -2.891 16.003 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -4.192 14.898 -3.250 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.853 14.070 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.374 14.531 0.450 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -3.034 16.018 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -4.590 15.181 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.444 12.325 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.677 12.959 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -3.186 12.231 -2.466 1.00 0.00 H new ATOM 395 N LEU B 25 -1.154 12.463 -3.095 1.00 0.00 N ATOM 396 CA LEU B 25 0.016 11.704 -2.587 1.00 0.00 C ATOM 397 C LEU B 25 0.432 10.738 -3.683 1.00 0.00 C ATOM 398 O LEU B 25 0.915 9.650 -3.446 1.00 0.00 O ATOM 399 CB LEU B 25 -0.505 10.953 -1.364 1.00 0.00 C ATOM 400 CG LEU B 25 -0.387 11.842 -0.125 1.00 0.00 C ATOM 401 CD1 LEU B 25 -1.473 11.459 0.881 1.00 0.00 C ATOM 402 CD2 LEU B 25 0.990 11.648 0.513 1.00 0.00 C ATOM 0 H LEU B 25 -2.041 11.962 -3.051 1.00 0.00 H new ATOM 0 HA LEU B 25 0.874 12.322 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.545 10.664 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.063 10.034 -1.220 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.510 12.886 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.390 12.092 1.765 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.454 11.597 0.427 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.350 10.415 1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.074 12.281 1.396 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.113 10.604 0.802 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.765 11.920 -0.204 1.00 0.00 H new ATOM 414 N VAL B 26 0.203 11.150 -4.889 1.00 0.00 N ATOM 415 CA VAL B 26 0.516 10.307 -6.062 1.00 0.00 C ATOM 416 C VAL B 26 0.989 11.208 -7.206 1.00 0.00 C ATOM 417 O VAL B 26 0.360 12.197 -7.527 1.00 0.00 O ATOM 418 CB VAL B 26 -0.831 9.631 -6.371 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.159 9.732 -7.863 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.759 8.162 -5.956 1.00 0.00 C ATOM 0 H VAL B 26 -0.199 12.060 -5.116 1.00 0.00 H new ATOM 0 HA VAL B 26 1.308 9.575 -5.905 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.618 10.138 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.116 9.247 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.218 10.781 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.378 9.239 -8.441 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.710 7.676 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.037 7.666 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.552 8.095 -4.888 1.00 0.00 H new ATOM 430 N GLY B 27 2.101 10.891 -7.808 1.00 0.00 N ATOM 431 CA GLY B 27 2.615 11.754 -8.911 1.00 0.00 C ATOM 432 C GLY B 27 2.758 13.188 -8.396 1.00 0.00 C ATOM 433 O GLY B 27 2.741 14.142 -9.149 1.00 0.00 O ATOM 0 H GLY B 27 2.674 10.077 -7.587 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.578 11.382 -9.262 1.00 0.00 H new ATOM 0 HA3 GLY B 27 1.933 11.725 -9.761 1.00 0.00 H new ATOM 437 N VAL B 28 2.902 13.334 -7.109 1.00 0.00 N ATOM 438 CA VAL B 28 3.053 14.685 -6.502 1.00 0.00 C ATOM 439 C VAL B 28 4.541 15.030 -6.406 1.00 0.00 C ATOM 440 O VAL B 28 5.357 14.478 -7.116 1.00 0.00 O ATOM 441 CB VAL B 28 2.407 14.558 -5.113 1.00 0.00 C ATOM 442 CG1 VAL B 28 3.420 14.015 -4.096 1.00 0.00 C ATOM 443 CG2 VAL B 28 1.903 15.931 -4.656 1.00 0.00 C ATOM 0 H VAL B 28 2.922 12.562 -6.442 1.00 0.00 H new ATOM 0 HA VAL B 28 2.585 15.480 -7.083 1.00 0.00 H new ATOM 0 HB VAL B 28 1.570 13.862 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.945 13.932 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.766 13.032 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.269 14.695 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL B 28 1.445 15.841 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL B 28 2.740 16.627 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL B 28 1.165 16.303 -5.367 1.00 0.00 H new ATOM 453 N SER B 29 4.899 15.925 -5.531 1.00 0.00 N ATOM 454 CA SER B 29 6.339 16.288 -5.383 1.00 0.00 C ATOM 455 C SER B 29 7.103 15.135 -4.722 1.00 0.00 C ATOM 456 O SER B 29 7.705 15.291 -3.677 1.00 0.00 O ATOM 457 CB SER B 29 6.360 17.526 -4.488 1.00 0.00 C ATOM 458 OG SER B 29 5.355 17.404 -3.488 1.00 0.00 O ATOM 0 H SER B 29 4.259 16.422 -4.911 1.00 0.00 H new ATOM 0 HA SER B 29 6.814 16.482 -6.345 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.340 17.635 -4.023 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.188 18.422 -5.084 1.00 0.00 H new ATOM 0 HG SER B 29 5.369 18.197 -2.912 1.00 0.00 H new ATOM 464 N ALA B 30 7.084 13.981 -5.331 1.00 0.00 N ATOM 465 CA ALA B 30 7.805 12.810 -4.760 1.00 0.00 C ATOM 466 C ALA B 30 8.200 11.865 -5.891 1.00 0.00 C ATOM 467 O ALA B 30 7.973 10.672 -5.832 1.00 0.00 O ATOM 468 CB ALA B 30 6.800 12.137 -3.821 1.00 0.00 C ATOM 0 H ALA B 30 6.595 13.799 -6.207 1.00 0.00 H new ATOM 0 HA ALA B 30 8.716 13.091 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA B 30 7.261 11.263 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.501 12.840 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.922 11.828 -4.389 1.00 0.00 H new ATOM 474 N LYS B 31 8.781 12.401 -6.926 1.00 0.00 N ATOM 475 CA LYS B 31 9.189 11.552 -8.083 1.00 0.00 C ATOM 476 C LYS B 31 10.713 11.399 -8.127 1.00 0.00 C ATOM 477 O LYS B 31 11.407 12.276 -8.601 1.00 0.00 O ATOM 478 CB LYS B 31 8.692 12.307 -9.314 1.00 0.00 C ATOM 479 CG LYS B 31 7.164 12.247 -9.369 1.00 0.00 C ATOM 480 CD LYS B 31 6.726 10.905 -9.957 1.00 0.00 C ATOM 481 CE LYS B 31 6.651 11.014 -11.482 1.00 0.00 C ATOM 482 NZ LYS B 31 5.368 11.718 -11.755 1.00 0.00 N ATOM 0 H LYS B 31 8.993 13.394 -7.023 1.00 0.00 H new ATOM 0 HA LYS B 31 8.776 10.545 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS B 31 9.024 13.344 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS B 31 9.116 11.869 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.749 12.371 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.779 13.065 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.431 10.124 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS B 31 5.754 10.620 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.499 11.571 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS B 31 6.668 10.029 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 4.741 11.096 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.909 11.964 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.557 12.586 -12.296 1.00 0.00 H new ATOM 496 N PRO B 32 11.186 10.282 -7.637 1.00 0.00 N ATOM 497 CA PRO B 32 12.644 10.015 -7.631 1.00 0.00 C ATOM 498 C PRO B 32 13.120 9.667 -9.044 1.00 0.00 C ATOM 499 O PRO B 32 12.633 8.739 -9.661 1.00 0.00 O ATOM 500 CB PRO B 32 12.787 8.817 -6.698 1.00 0.00 C ATOM 501 CG PRO B 32 11.460 8.129 -6.739 1.00 0.00 C ATOM 502 CD PRO B 32 10.420 9.176 -7.048 1.00 0.00 C ATOM 0 HA PRO B 32 13.238 10.870 -7.308 1.00 0.00 H new ATOM 0 HB2 PRO B 32 13.585 8.153 -7.029 1.00 0.00 H new ATOM 0 HB3 PRO B 32 13.035 9.134 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO B 32 11.456 7.348 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO B 32 11.248 7.647 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO B 32 9.669 8.798 -7.741 1.00 0.00 H new ATOM 0 HD3 PRO B 32 9.893 9.492 -6.148 1.00 0.00 H new ATOM 510 N VAL B 33 14.062 10.408 -9.564 1.00 0.00 N ATOM 511 CA VAL B 33 14.562 10.123 -10.941 1.00 0.00 C ATOM 512 C VAL B 33 15.963 9.505 -10.883 1.00 0.00 C ATOM 513 O VAL B 33 16.933 10.104 -11.305 1.00 0.00 O ATOM 514 CB VAL B 33 14.601 11.487 -11.634 1.00 0.00 C ATOM 515 CG1 VAL B 33 15.159 11.332 -13.050 1.00 0.00 C ATOM 516 CG2 VAL B 33 13.184 12.059 -11.707 1.00 0.00 C ATOM 0 H VAL B 33 14.507 11.198 -9.096 1.00 0.00 H new ATOM 0 HA VAL B 33 13.929 9.412 -11.472 1.00 0.00 H new ATOM 0 HB VAL B 33 15.241 12.162 -11.066 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.185 12.306 -13.539 1.00 0.00 H new ATOM 0 HG12 VAL B 33 16.168 10.924 -13.001 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.522 10.656 -13.620 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.209 13.031 -12.200 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.547 11.381 -12.274 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.786 12.174 -10.699 1.00 0.00 H new ATOM 526 N ASN B 34 16.074 8.305 -10.371 1.00 0.00 N ATOM 527 CA ASN B 34 17.410 7.636 -10.288 1.00 0.00 C ATOM 528 C ASN B 34 18.441 8.570 -9.644 1.00 0.00 C ATOM 529 O ASN B 34 19.336 9.070 -10.299 1.00 0.00 O ATOM 530 CB ASN B 34 17.791 7.328 -11.740 1.00 0.00 C ATOM 531 CG ASN B 34 17.759 5.815 -11.971 1.00 0.00 C ATOM 532 OD1 ASN B 34 18.023 5.046 -11.069 1.00 0.00 O ATOM 533 ND2 ASN B 34 17.446 5.354 -13.151 1.00 0.00 N ATOM 0 H ASN B 34 15.295 7.758 -10.006 1.00 0.00 H new ATOM 0 HA ASN B 34 17.380 6.736 -9.674 1.00 0.00 H new ATOM 0 HB2 ASN B 34 17.100 7.824 -12.421 1.00 0.00 H new ATOM 0 HB3 ASN B 34 18.786 7.718 -11.956 1.00 0.00 H new ATOM 0 HD21 ASN B 34 17.423 4.348 -13.316 1.00 0.00 H new ATOM 0 HD22 ASN B 34 17.224 6.000 -13.909 1.00 0.00 H new ATOM 540 N ARG B 35 18.324 8.803 -8.363 1.00 0.00 N ATOM 541 CA ARG B 35 19.296 9.700 -7.666 1.00 0.00 C ATOM 542 C ARG B 35 18.951 9.801 -6.174 1.00 0.00 C ATOM 543 O ARG B 35 19.773 9.491 -5.334 1.00 0.00 O ATOM 544 CB ARG B 35 19.162 11.069 -8.346 1.00 0.00 C ATOM 545 CG ARG B 35 20.526 11.518 -8.882 1.00 0.00 C ATOM 546 CD ARG B 35 20.386 11.972 -10.336 1.00 0.00 C ATOM 547 NE ARG B 35 21.742 12.471 -10.710 1.00 0.00 N ATOM 548 CZ ARG B 35 21.894 13.590 -11.382 1.00 0.00 C ATOM 549 NH1 ARG B 35 20.861 14.307 -11.746 1.00 0.00 N ATOM 550 NH2 ARG B 35 23.095 13.993 -11.692 1.00 0.00 N ATOM 0 H ARG B 35 17.596 8.410 -7.767 1.00 0.00 H new ATOM 0 HA ARG B 35 20.316 9.321 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG B 35 18.442 11.011 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG B 35 18.781 11.802 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG B 35 20.916 12.333 -8.273 1.00 0.00 H new ATOM 0 HG3 ARG B 35 21.242 10.699 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG B 35 20.076 11.149 -10.980 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.635 12.755 -10.436 1.00 0.00 H new ATOM 0 HE ARG B 35 22.566 11.934 -10.439 1.00 0.00 H new ATOM 0 HH11 ARG B 35 19.918 14.000 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG B 35 20.999 15.173 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG B 35 23.906 13.441 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG B 35 23.223 14.860 -12.213 1.00 0.00 H new ATOM 564 N PRO B 36 17.745 10.231 -5.881 1.00 0.00 N ATOM 565 CA PRO B 36 17.321 10.363 -4.465 1.00 0.00 C ATOM 566 C PRO B 36 17.097 8.982 -3.843 1.00 0.00 C ATOM 567 O PRO B 36 16.762 8.928 -2.671 1.00 0.00 O ATOM 568 CB PRO B 36 16.010 11.140 -4.551 1.00 0.00 C ATOM 569 CG PRO B 36 15.485 10.863 -5.923 1.00 0.00 C ATOM 570 CD PRO B 36 16.678 10.630 -6.813 1.00 0.00 C ATOM 571 OXT PRO B 36 17.267 8.002 -4.550 1.00 0.00 O ATOM 0 HA PRO B 36 18.064 10.860 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO B 36 15.306 10.813 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO B 36 16.173 12.207 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO B 36 14.832 9.990 -5.917 1.00 0.00 H new ATOM 0 HG3 PRO B 36 14.892 11.702 -6.286 1.00 0.00 H new ATOM 0 HD2 PRO B 36 16.480 9.852 -7.550 1.00 0.00 H new ATOM 0 HD3 PRO B 36 16.946 11.531 -7.365 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 14.394 -19.690 2.487 1.00 1.31 P ATOM 581 OP1 G A 1 13.713 -20.488 3.537 1.00 1.51 O ATOM 582 OP2 G A 1 15.876 -19.713 2.393 1.00 1.52 O ATOM 583 O5' G A 1 13.927 -18.175 2.638 1.00 1.09 O ATOM 584 C5' G A 1 12.634 -17.748 2.168 1.00 1.03 C ATOM 585 C4' G A 1 11.547 -18.548 2.840 1.00 0.94 C ATOM 586 O4' G A 1 11.673 -18.372 4.269 1.00 1.02 O ATOM 587 C3' G A 1 10.134 -18.090 2.517 1.00 0.80 C ATOM 588 O3' G A 1 9.688 -18.748 1.326 1.00 0.75 O ATOM 589 C2' G A 1 9.347 -18.518 3.753 1.00 0.78 C ATOM 590 O2' G A 1 8.887 -19.854 3.686 1.00 0.77 O ATOM 591 C1' G A 1 10.391 -18.384 4.861 1.00 0.90 C ATOM 592 N9 G A 1 10.230 -17.149 5.614 1.00 0.90 N ATOM 593 C8 G A 1 10.934 -15.981 5.455 1.00 0.97 C ATOM 594 N7 G A 1 10.557 -15.042 6.278 1.00 0.99 N ATOM 595 C5 G A 1 9.542 -15.628 7.022 1.00 0.90 C ATOM 596 C6 G A 1 8.752 -15.098 8.064 1.00 0.88 C ATOM 597 O6 G A 1 8.794 -13.969 8.554 1.00 0.94 O ATOM 598 N1 G A 1 7.836 -16.031 8.546 1.00 0.82 N ATOM 599 C2 G A 1 7.705 -17.315 8.074 1.00 0.81 C ATOM 600 N2 G A 1 6.766 -18.073 8.661 1.00 0.83 N ATOM 601 N3 G A 1 8.439 -17.821 7.099 1.00 0.83 N ATOM 602 C4 G A 1 9.330 -16.927 6.624 1.00 0.86 C ATOM 0 H5' G A 1 12.572 -17.873 1.087 1.00 1.03 H new ATOM 0 H5'' G A 1 12.496 -16.687 2.375 1.00 1.03 H new ATOM 0 H4' G A 1 11.677 -19.571 2.486 1.00 0.94 H new ATOM 0 H3' G A 1 10.029 -17.023 2.322 1.00 0.80 H new ATOM 0 H2' G A 1 8.444 -17.922 3.889 1.00 0.78 H new ATOM 0 HO2' G A 1 8.014 -19.877 3.242 1.00 0.77 H new ATOM 0 H1' G A 1 10.267 -19.224 5.545 1.00 0.90 H new ATOM 0 H8 G A 1 11.719 -15.853 4.724 1.00 0.97 H new ATOM 0 H1 G A 1 7.218 -15.740 9.304 1.00 0.82 H new ATOM 0 H21 G A 1 6.622 -19.035 8.354 1.00 0.83 H new ATOM 0 H22 G A 1 6.197 -17.687 9.414 1.00 0.83 H new ATOM 614 P C A 2 8.150 -19.194 1.171 1.00 0.69 P ATOM 615 OP1 C A 2 8.053 -20.613 1.600 1.00 0.82 O ATOM 616 OP2 C A 2 7.690 -18.807 -0.187 1.00 0.84 O ATOM 617 O5' C A 2 7.370 -18.300 2.230 1.00 0.58 O ATOM 618 C5' C A 2 6.375 -17.356 1.806 1.00 0.57 C ATOM 619 C4' C A 2 5.186 -17.404 2.733 1.00 0.55 C ATOM 620 O4' C A 2 5.658 -17.260 4.094 1.00 0.54 O ATOM 621 C3' C A 2 4.203 -16.263 2.542 1.00 0.51 C ATOM 622 O3' C A 2 3.234 -16.611 1.555 1.00 0.59 O ATOM 623 C2' C A 2 3.571 -16.117 3.920 1.00 0.53 C ATOM 624 O2' C A 2 2.467 -16.981 4.111 1.00 0.67 O ATOM 625 C1' C A 2 4.717 -16.523 4.852 1.00 0.51 C ATOM 626 N1 C A 2 5.416 -15.368 5.427 1.00 0.45 N ATOM 627 C2 C A 2 4.891 -14.776 6.573 1.00 0.44 C ATOM 628 O2 C A 2 3.855 -15.250 7.065 1.00 0.49 O ATOM 629 N3 C A 2 5.519 -13.709 7.115 1.00 0.43 N ATOM 630 C4 C A 2 6.631 -13.235 6.550 1.00 0.45 C ATOM 631 N4 C A 2 7.221 -12.180 7.115 1.00 0.49 N ATOM 632 C5 C A 2 7.190 -13.823 5.378 1.00 0.47 C ATOM 633 C6 C A 2 6.558 -14.880 4.853 1.00 0.46 C ATOM 0 H5' C A 2 6.061 -17.581 0.787 1.00 0.57 H new ATOM 0 H5'' C A 2 6.797 -16.351 1.795 1.00 0.57 H new ATOM 0 H4' C A 2 4.686 -18.349 2.519 1.00 0.55 H new ATOM 0 H3' C A 2 4.662 -15.338 2.194 1.00 0.51 H new ATOM 0 H2' C A 2 3.176 -15.115 4.086 1.00 0.53 H new ATOM 0 HO2' C A 2 1.648 -16.537 3.808 1.00 0.67 H new ATOM 0 H1' C A 2 4.289 -17.101 5.671 1.00 0.51 H new ATOM 0 H41 C A 2 8.073 -11.793 6.708 1.00 0.49 H new ATOM 0 H42 C A 2 6.820 -11.760 7.954 1.00 0.49 H new ATOM 0 H5 C A 2 8.091 -13.430 4.930 1.00 0.47 H new ATOM 0 H6 C A 2 6.954 -15.353 3.966 1.00 0.46 H new ATOM 645 P C A 3 1.865 -15.778 1.452 1.00 0.67 P ATOM 646 OP1 C A 3 0.886 -16.412 2.371 1.00 1.00 O ATOM 647 OP2 C A 3 1.525 -15.618 0.015 1.00 1.20 O ATOM 648 O5' C A 3 2.237 -14.344 2.038 1.00 0.89 O ATOM 649 C5' C A 3 1.231 -13.327 2.195 1.00 0.68 C ATOM 650 C4' C A 3 0.687 -13.345 3.600 1.00 0.61 C ATOM 651 O4' C A 3 1.799 -13.528 4.510 1.00 0.67 O ATOM 652 C3' C A 3 0.057 -12.031 4.021 1.00 0.56 C ATOM 653 O3' C A 3 -1.326 -12.001 3.651 1.00 0.57 O ATOM 654 C2' C A 3 0.279 -12.000 5.531 1.00 0.57 C ATOM 655 O2' C A 3 -0.724 -12.654 6.279 1.00 0.64 O ATOM 656 C1' C A 3 1.600 -12.758 5.681 1.00 0.62 C ATOM 657 N1 C A 3 2.754 -11.856 5.812 1.00 0.61 N ATOM 658 C2 C A 3 2.839 -11.016 6.926 1.00 0.56 C ATOM 659 O2 C A 3 1.936 -11.051 7.775 1.00 0.55 O ATOM 660 N3 C A 3 3.901 -10.189 7.048 1.00 0.58 N ATOM 661 C4 C A 3 4.852 -10.181 6.111 1.00 0.65 C ATOM 662 N4 C A 3 5.882 -9.350 6.269 1.00 0.71 N ATOM 663 C5 C A 3 4.788 -11.026 4.967 1.00 0.71 C ATOM 664 C6 C A 3 3.731 -11.841 4.857 1.00 0.68 C ATOM 0 H5' C A 3 0.423 -13.492 1.482 1.00 0.68 H new ATOM 0 H5'' C A 3 1.656 -12.348 1.974 1.00 0.68 H new ATOM 0 H4' C A 3 -0.063 -14.135 3.628 1.00 0.61 H new ATOM 0 H3' C A 3 0.488 -11.153 3.539 1.00 0.56 H new ATOM 0 H2' C A 3 0.271 -10.977 5.908 1.00 0.57 H new ATOM 0 HO2' C A 3 -0.882 -13.546 5.905 1.00 0.64 H new ATOM 0 H1' C A 3 1.533 -13.367 6.583 1.00 0.62 H new ATOM 0 H41 C A 3 6.625 -9.320 5.571 1.00 0.71 H new ATOM 0 H42 C A 3 5.927 -8.744 7.088 1.00 0.71 H new ATOM 0 H5 C A 3 5.563 -11.010 4.215 1.00 0.71 H new ATOM 0 H6 C A 3 3.650 -12.495 4.002 1.00 0.68 H new ATOM 676 P C A 4 -2.418 -12.802 4.517 1.00 0.57 P ATOM 677 OP1 C A 4 -1.764 -13.981 5.141 1.00 0.73 O ATOM 678 OP2 C A 4 -3.606 -13.001 3.648 1.00 0.60 O ATOM 679 O5' C A 4 -2.819 -11.759 5.651 1.00 0.61 O ATOM 680 C5' C A 4 -2.900 -10.353 5.345 1.00 0.51 C ATOM 681 C4' C A 4 -2.791 -9.528 6.600 1.00 0.47 C ATOM 682 O4' C A 4 -1.489 -9.746 7.197 1.00 0.55 O ATOM 683 C3' C A 4 -2.828 -8.032 6.353 1.00 0.45 C ATOM 684 O3' C A 4 -4.167 -7.554 6.287 1.00 0.51 O ATOM 685 C2' C A 4 -2.098 -7.473 7.566 1.00 0.47 C ATOM 686 O2' C A 4 -2.943 -7.309 8.689 1.00 0.57 O ATOM 687 C1' C A 4 -1.058 -8.559 7.840 1.00 0.48 C ATOM 688 N1 C A 4 0.260 -8.200 7.298 1.00 0.43 N ATOM 689 C2 C A 4 1.008 -7.204 7.931 1.00 0.39 C ATOM 690 O2 C A 4 0.542 -6.649 8.938 1.00 0.43 O ATOM 691 N3 C A 4 2.218 -6.871 7.427 1.00 0.38 N ATOM 692 C4 C A 4 2.679 -7.493 6.342 1.00 0.45 C ATOM 693 N4 C A 4 3.873 -7.141 5.874 1.00 0.51 N ATOM 694 C5 C A 4 1.936 -8.508 5.683 1.00 0.51 C ATOM 695 C6 C A 4 0.743 -8.828 6.185 1.00 0.48 C ATOM 0 H5' C A 4 -3.844 -10.139 4.844 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.103 -10.080 4.654 1.00 0.51 H new ATOM 0 H4' C A 4 -3.637 -9.832 7.216 1.00 0.47 H new ATOM 0 H3' C A 4 -2.375 -7.738 5.406 1.00 0.45 H new ATOM 0 H2' C A 4 -1.689 -6.479 7.384 1.00 0.47 H new ATOM 0 HO2' C A 4 -2.424 -6.949 9.439 1.00 0.57 H new ATOM 0 H1' C A 4 -0.964 -8.685 8.919 1.00 0.48 H new ATOM 0 H41 C A 4 4.251 -7.600 5.045 1.00 0.51 H new ATOM 0 H42 C A 4 4.410 -6.412 6.344 1.00 0.51 H new ATOM 0 H5 C A 4 2.324 -9.004 4.805 1.00 0.51 H new ATOM 0 H6 C A 4 0.151 -9.593 5.706 1.00 0.48 H new ATOM 707 P U A 5 -4.508 -6.284 5.366 1.00 0.57 P ATOM 708 OP1 U A 5 -5.986 -6.210 5.239 1.00 0.62 O ATOM 709 OP2 U A 5 -3.670 -6.353 4.142 1.00 0.77 O ATOM 710 O5' U A 5 -4.020 -5.042 6.236 1.00 0.49 O ATOM 711 C5' U A 5 -4.533 -4.838 7.562 1.00 0.45 C ATOM 712 C4' U A 5 -3.666 -3.862 8.320 1.00 0.41 C ATOM 713 O4' U A 5 -2.351 -4.437 8.514 1.00 0.47 O ATOM 714 C3' U A 5 -3.370 -2.560 7.601 1.00 0.35 C ATOM 715 O3' U A 5 -4.427 -1.619 7.784 1.00 0.36 O ATOM 716 C2' U A 5 -2.103 -2.077 8.295 1.00 0.41 C ATOM 717 O2' U A 5 -2.369 -1.312 9.457 1.00 0.50 O ATOM 718 C1' U A 5 -1.416 -3.388 8.674 1.00 0.43 C ATOM 719 N1 U A 5 -0.233 -3.642 7.842 1.00 0.43 N ATOM 720 C2 U A 5 0.832 -2.793 8.034 1.00 0.40 C ATOM 721 O2 U A 5 0.805 -1.883 8.847 1.00 0.39 O ATOM 722 N3 U A 5 1.924 -3.044 7.248 1.00 0.43 N ATOM 723 C4 U A 5 2.059 -4.030 6.306 1.00 0.50 C ATOM 724 O4 U A 5 3.116 -4.119 5.674 1.00 0.54 O ATOM 725 C5 U A 5 0.913 -4.875 6.159 1.00 0.55 C ATOM 726 C6 U A 5 -0.175 -4.659 6.916 1.00 0.51 C ATOM 0 H5' U A 5 -4.571 -5.789 8.094 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.554 -4.461 7.509 1.00 0.45 H new ATOM 0 H4' U A 5 -4.236 -3.663 9.228 1.00 0.41 H new ATOM 0 H3' U A 5 -3.264 -2.680 6.523 1.00 0.35 H new ATOM 0 H2' U A 5 -1.512 -1.418 7.659 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.283 -0.960 9.415 1.00 0.50 H new ATOM 0 H1' U A 5 -1.076 -3.325 9.708 1.00 0.43 H new ATOM 0 H3 U A 5 2.727 -2.428 7.378 1.00 0.43 H new ATOM 0 H5 U A 5 0.923 -5.683 5.442 1.00 0.55 H new ATOM 0 H6 U A 5 -1.032 -5.304 6.794 1.00 0.51 H new ATOM 737 P G A 6 -4.791 -0.592 6.602 1.00 0.43 P ATOM 738 OP1 G A 6 -6.269 -0.451 6.552 1.00 0.65 O ATOM 739 OP2 G A 6 -4.058 -1.038 5.390 1.00 0.54 O ATOM 740 O5' G A 6 -4.177 0.801 7.078 1.00 0.43 O ATOM 741 C5' G A 6 -2.801 0.910 7.499 1.00 0.47 C ATOM 742 C4' G A 6 -1.998 1.683 6.477 1.00 0.47 C ATOM 743 O4' G A 6 -0.632 1.199 6.482 1.00 0.53 O ATOM 744 C3' G A 6 -2.433 1.461 5.042 1.00 0.39 C ATOM 745 O3' G A 6 -3.515 2.328 4.716 1.00 0.41 O ATOM 746 C2' G A 6 -1.182 1.821 4.250 1.00 0.48 C ATOM 747 O2' G A 6 -1.097 3.201 3.948 1.00 0.59 O ATOM 748 C1' G A 6 -0.055 1.417 5.205 1.00 0.49 C ATOM 749 N9 G A 6 0.614 0.190 4.785 1.00 0.50 N ATOM 750 C8 G A 6 0.118 -1.087 4.867 1.00 0.60 C ATOM 751 N7 G A 6 0.947 -1.989 4.412 1.00 0.63 N ATOM 752 C5 G A 6 2.056 -1.263 4.001 1.00 0.54 C ATOM 753 C6 G A 6 3.276 -1.699 3.417 1.00 0.55 C ATOM 754 O6 G A 6 3.631 -2.851 3.143 1.00 0.61 O ATOM 755 N1 G A 6 4.130 -0.632 3.148 1.00 0.55 N ATOM 756 C2 G A 6 3.843 0.686 3.410 1.00 0.57 C ATOM 757 N2 G A 6 4.795 1.577 3.082 1.00 0.70 N ATOM 758 N3 G A 6 2.710 1.104 3.956 1.00 0.53 N ATOM 759 C4 G A 6 1.868 0.083 4.223 1.00 0.49 C ATOM 0 H5' G A 6 -2.374 -0.084 7.630 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.748 1.410 8.466 1.00 0.47 H new ATOM 0 H4' G A 6 -2.129 2.728 6.759 1.00 0.47 H new ATOM 0 H3' G A 6 -2.788 0.450 4.840 1.00 0.39 H new ATOM 0 H2' G A 6 -1.156 1.325 3.280 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.320 3.363 3.374 1.00 0.59 H new ATOM 0 H1' G A 6 0.690 2.213 5.217 1.00 0.49 H new ATOM 0 H8 G A 6 -0.857 -1.322 5.267 1.00 0.60 H new ATOM 0 H1 G A 6 5.034 -0.844 2.726 1.00 0.55 H new ATOM 0 H21 G A 6 4.643 2.571 3.251 1.00 0.70 H new ATOM 0 H22 G A 6 5.669 1.259 2.664 1.00 0.70 H new ATOM 771 P A A 7 -4.367 2.069 3.379 1.00 0.43 P ATOM 772 OP1 A A 7 -4.824 3.391 2.880 1.00 0.74 O ATOM 773 OP2 A A 7 -5.363 1.005 3.659 1.00 0.66 O ATOM 774 O5' A A 7 -3.295 1.494 2.352 1.00 0.33 O ATOM 775 C5' A A 7 -3.656 1.218 0.988 1.00 0.29 C ATOM 776 C4' A A 7 -2.702 1.911 0.046 1.00 0.23 C ATOM 777 O4' A A 7 -2.861 3.340 0.183 1.00 0.23 O ATOM 778 C3' A A 7 -1.229 1.700 0.347 1.00 0.25 C ATOM 779 O3' A A 7 -0.775 0.478 -0.225 1.00 0.27 O ATOM 780 C2' A A 7 -0.577 2.903 -0.328 1.00 0.24 C ATOM 781 O2' A A 7 -0.289 2.685 -1.695 1.00 0.25 O ATOM 782 C1' A A 7 -1.655 3.976 -0.191 1.00 0.21 C ATOM 783 N9 A A 7 -1.325 4.981 0.818 1.00 0.24 N ATOM 784 C8 A A 7 -1.888 5.155 2.058 1.00 0.29 C ATOM 785 N7 A A 7 -1.370 6.146 2.740 1.00 0.33 N ATOM 786 C5 A A 7 -0.400 6.663 1.891 1.00 0.30 C ATOM 787 C6 A A 7 0.503 7.731 2.026 1.00 0.34 C ATOM 788 N6 A A 7 0.583 8.503 3.112 1.00 0.39 N ATOM 789 N1 A A 7 1.336 7.983 0.991 1.00 0.35 N ATOM 790 C2 A A 7 1.257 7.208 -0.098 1.00 0.32 C ATOM 791 N3 A A 7 0.451 6.179 -0.341 1.00 0.27 N ATOM 792 C4 A A 7 -0.362 5.955 0.705 1.00 0.25 C ATOM 0 H5' A A 7 -4.675 1.555 0.798 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.638 0.143 0.810 1.00 0.29 H new ATOM 0 H4' A A 7 -2.945 1.494 -0.931 1.00 0.23 H new ATOM 0 H3' A A 7 -1.000 1.630 1.410 1.00 0.25 H new ATOM 0 H2' A A 7 0.384 3.151 0.122 1.00 0.24 H new ATOM 0 HO2' A A 7 0.126 3.488 -2.074 1.00 0.25 H new ATOM 0 H1' A A 7 -1.742 4.490 -1.148 1.00 0.21 H new ATOM 0 H8 A A 7 -2.685 4.532 2.436 1.00 0.29 H new ATOM 0 H61 A A 7 1.261 9.264 3.148 1.00 0.39 H new ATOM 0 H62 A A 7 -0.034 8.332 3.906 1.00 0.39 H new ATOM 0 H2 A A 7 1.946 7.454 -0.892 1.00 0.32 H new ATOM 804 P A A 8 0.243 -0.454 0.596 1.00 0.37 P ATOM 805 OP1 A A 8 0.035 -1.851 0.137 1.00 0.47 O ATOM 806 OP2 A A 8 0.112 -0.129 2.038 1.00 0.44 O ATOM 807 O5' A A 8 1.679 0.024 0.103 1.00 0.38 O ATOM 808 C5' A A 8 1.860 0.585 -1.211 1.00 0.39 C ATOM 809 C4' A A 8 2.815 1.751 -1.150 1.00 0.43 C ATOM 810 O4' A A 8 2.165 2.856 -0.477 1.00 0.37 O ATOM 811 C3' A A 8 4.050 1.488 -0.306 1.00 0.53 C ATOM 812 O3' A A 8 5.082 0.854 -1.066 1.00 0.66 O ATOM 813 C2' A A 8 4.470 2.886 0.130 1.00 0.50 C ATOM 814 O2' A A 8 5.265 3.546 -0.833 1.00 0.58 O ATOM 815 C1' A A 8 3.123 3.598 0.260 1.00 0.38 C ATOM 816 N9 A A 8 2.666 3.670 1.645 1.00 0.36 N ATOM 817 C8 A A 8 1.674 2.928 2.232 1.00 0.42 C ATOM 818 N7 A A 8 1.476 3.217 3.494 1.00 0.47 N ATOM 819 C5 A A 8 2.405 4.213 3.758 1.00 0.41 C ATOM 820 C6 A A 8 2.708 4.940 4.922 1.00 0.44 C ATOM 821 N6 A A 8 2.078 4.771 6.087 1.00 0.54 N ATOM 822 N1 A A 8 3.695 5.860 4.850 1.00 0.40 N ATOM 823 C2 A A 8 4.327 6.030 3.682 1.00 0.36 C ATOM 824 N3 A A 8 4.132 5.409 2.520 1.00 0.35 N ATOM 825 C4 A A 8 3.146 4.502 2.627 1.00 0.35 C ATOM 0 H5' A A 8 0.900 0.912 -1.611 1.00 0.39 H new ATOM 0 H5'' A A 8 2.246 -0.176 -1.890 1.00 0.39 H new ATOM 0 H4' A A 8 3.099 1.944 -2.185 1.00 0.43 H new ATOM 0 H3' A A 8 3.858 0.814 0.528 1.00 0.53 H new ATOM 0 H2' A A 8 5.078 2.870 1.034 1.00 0.50 H new ATOM 0 HO2' A A 8 4.772 3.607 -1.678 1.00 0.58 H new ATOM 0 H1' A A 8 3.240 4.616 -0.112 1.00 0.38 H new ATOM 0 H8 A A 8 1.108 2.175 1.703 1.00 0.42 H new ATOM 0 H61 A A 8 2.345 5.331 6.897 1.00 0.54 H new ATOM 0 H62 A A 8 1.330 4.082 6.167 1.00 0.54 H new ATOM 0 H2 A A 8 5.106 6.778 3.682 1.00 0.36 H new ATOM 837 P A A 9 5.091 0.977 -2.670 1.00 1.47 P ATOM 838 OP1 A A 9 5.026 2.421 -3.004 1.00 2.33 O ATOM 839 OP2 A A 9 4.065 0.052 -3.213 1.00 2.35 O ATOM 840 O5' A A 9 6.529 0.437 -3.090 1.00 1.08 O ATOM 841 C5' A A 9 7.665 0.627 -2.228 1.00 1.04 C ATOM 842 C4' A A 9 8.319 1.953 -2.516 1.00 1.09 C ATOM 843 O4' A A 9 7.728 2.512 -3.715 1.00 1.26 O ATOM 844 C3' A A 9 8.064 3.012 -1.462 1.00 0.99 C ATOM 845 O3' A A 9 9.000 2.901 -0.397 1.00 1.17 O ATOM 846 C2' A A 9 8.245 4.309 -2.238 1.00 1.26 C ATOM 847 O2' A A 9 9.601 4.701 -2.334 1.00 1.57 O ATOM 848 C1' A A 9 7.715 3.925 -3.623 1.00 1.29 C ATOM 849 N9 A A 9 6.336 4.364 -3.836 1.00 0.00 N ATOM 850 C8 A A 9 5.544 5.082 -2.977 1.00 0.00 C ATOM 851 N7 A A 9 4.344 5.327 -3.443 1.00 0.00 N ATOM 852 C5 A A 9 4.344 4.727 -4.693 1.00 0.00 C ATOM 853 C6 A A 9 3.362 4.623 -5.693 1.00 0.00 C ATOM 854 N6 A A 9 2.140 5.147 -5.588 1.00 0.00 N ATOM 855 N1 A A 9 3.684 3.951 -6.821 1.00 0.00 N ATOM 856 C2 A A 9 4.911 3.423 -6.923 1.00 0.00 C ATOM 857 N3 A A 9 5.917 3.455 -6.055 1.00 0.00 N ATOM 858 C4 A A 9 5.566 4.130 -4.948 1.00 0.00 C ATOM 0 H5' A A 9 8.382 -0.180 -2.376 1.00 1.04 H new ATOM 0 H5'' A A 9 7.350 0.587 -1.185 1.00 1.04 H new ATOM 0 H4' A A 9 9.386 1.737 -2.578 1.00 1.09 H new ATOM 0 H3' A A 9 7.085 2.934 -0.989 1.00 0.99 H new ATOM 0 H2' A A 9 7.741 5.152 -1.766 1.00 1.26 H new ATOM 0 HO2' A A 9 10.133 4.200 -1.682 1.00 1.57 H new ATOM 0 H1' A A 9 8.347 4.406 -4.369 1.00 1.29 H new ATOM 0 H8 A A 9 5.879 5.415 -2.006 1.00 0.00 H new ATOM 0 H61 A A 9 1.471 5.037 -6.350 1.00 0.00 H new ATOM 0 H62 A A 9 1.875 5.658 -4.746 1.00 0.00 H new ATOM 0 H2 A A 9 5.112 2.895 -7.844 1.00 0.00 H new ATOM 870 P A A 10 8.783 1.782 0.737 1.00 1.33 P ATOM 871 OP1 A A 10 9.308 0.491 0.223 1.00 2.11 O ATOM 872 OP2 A A 10 7.365 1.867 1.207 1.00 2.10 O ATOM 873 O5' A A 10 9.724 2.260 1.929 1.00 0.79 O ATOM 874 C5' A A 10 9.291 2.135 3.290 1.00 0.59 C ATOM 875 C4' A A 10 9.413 3.459 4.005 1.00 0.54 C ATOM 876 O4' A A 10 8.147 4.150 3.906 1.00 0.50 O ATOM 877 C3' A A 10 9.672 3.327 5.493 1.00 0.50 C ATOM 878 O3' A A 10 11.076 3.261 5.742 1.00 0.61 O ATOM 879 C2' A A 10 9.038 4.584 6.077 1.00 0.50 C ATOM 880 O2' A A 10 9.917 5.691 6.075 1.00 0.61 O ATOM 881 C1' A A 10 7.875 4.838 5.112 1.00 0.48 C ATOM 882 N9 A A 10 6.607 4.311 5.603 1.00 0.45 N ATOM 883 C8 A A 10 5.809 3.396 4.967 1.00 0.45 C ATOM 884 N7 A A 10 4.723 3.090 5.631 1.00 0.51 N ATOM 885 C5 A A 10 4.812 3.857 6.786 1.00 0.54 C ATOM 886 C6 A A 10 3.972 3.987 7.905 1.00 0.64 C ATOM 887 N6 A A 10 2.824 3.321 8.052 1.00 0.72 N ATOM 888 N1 A A 10 4.356 4.836 8.882 1.00 0.69 N ATOM 889 C2 A A 10 5.509 5.503 8.736 1.00 0.66 C ATOM 890 N3 A A 10 6.382 5.466 7.733 1.00 0.58 N ATOM 891 C4 A A 10 5.970 4.614 6.780 1.00 0.51 C ATOM 0 H5' A A 10 9.891 1.382 3.801 1.00 0.59 H new ATOM 0 H5'' A A 10 8.257 1.793 3.319 1.00 0.59 H new ATOM 0 H4' A A 10 10.250 3.977 3.537 1.00 0.54 H new ATOM 0 H3' A A 10 9.257 2.422 5.936 1.00 0.50 H new ATOM 0 H2' A A 10 8.751 4.456 7.121 1.00 0.50 H new ATOM 0 HO2' A A 10 10.844 5.373 6.046 1.00 0.61 H new ATOM 0 H1' A A 10 7.788 5.918 4.991 1.00 0.48 H new ATOM 0 H8 A A 10 6.054 2.967 4.007 1.00 0.45 H new ATOM 0 H61 A A 10 2.258 3.459 8.889 1.00 0.72 H new ATOM 0 H62 A A 10 2.513 2.674 7.327 1.00 0.72 H new ATOM 0 H2 A A 10 5.766 6.166 9.549 1.00 0.66 H new ATOM 903 P A A 11 11.613 2.788 7.181 1.00 0.62 P ATOM 904 OP1 A A 11 12.619 3.773 7.650 1.00 0.77 O ATOM 905 OP2 A A 11 11.987 1.356 7.065 1.00 0.65 O ATOM 906 O5' A A 11 10.334 2.890 8.123 1.00 0.58 O ATOM 907 C5' A A 11 10.330 3.748 9.280 1.00 0.56 C ATOM 908 C4' A A 11 8.991 3.669 9.972 1.00 0.49 C ATOM 909 O4' A A 11 7.979 3.435 8.963 1.00 0.46 O ATOM 910 C3' A A 11 8.849 2.507 10.940 1.00 0.47 C ATOM 911 O3' A A 11 9.309 2.903 12.237 1.00 0.51 O ATOM 912 C2' A A 11 7.351 2.220 10.914 1.00 0.43 C ATOM 913 O2' A A 11 6.621 3.027 11.818 1.00 0.47 O ATOM 914 C1' A A 11 6.966 2.595 9.482 1.00 0.42 C ATOM 915 N9 A A 11 6.857 1.446 8.584 1.00 0.41 N ATOM 916 C8 A A 11 7.797 0.984 7.695 1.00 0.46 C ATOM 917 N7 A A 11 7.397 -0.053 6.995 1.00 0.47 N ATOM 918 C5 A A 11 6.111 -0.292 7.458 1.00 0.42 C ATOM 919 C6 A A 11 5.143 -1.256 7.119 1.00 0.43 C ATOM 920 N6 A A 11 5.316 -2.208 6.193 1.00 0.49 N ATOM 921 N1 A A 11 3.965 -1.211 7.777 1.00 0.40 N ATOM 922 C2 A A 11 3.777 -0.266 8.705 1.00 0.37 C ATOM 923 N3 A A 11 4.605 0.691 9.109 1.00 0.37 N ATOM 924 C4 A A 11 5.767 0.623 8.440 1.00 0.39 C ATOM 0 H5' A A 11 10.535 4.776 8.982 1.00 0.56 H new ATOM 0 H5'' A A 11 11.122 3.451 9.967 1.00 0.56 H new ATOM 0 H4' A A 11 8.890 4.603 10.525 1.00 0.49 H new ATOM 0 H3' A A 11 9.435 1.625 10.680 1.00 0.47 H new ATOM 0 H2' A A 11 7.131 1.192 11.201 1.00 0.43 H new ATOM 0 HO2' A A 11 6.642 2.621 12.709 1.00 0.47 H new ATOM 0 H1' A A 11 5.988 3.074 9.531 1.00 0.42 H new ATOM 0 H8 A A 11 8.773 1.432 7.582 1.00 0.46 H new ATOM 0 H61 A A 11 4.568 -2.874 6.000 1.00 0.49 H new ATOM 0 H62 A A 11 6.196 -2.267 5.680 1.00 0.49 H new ATOM 0 H2 A A 11 2.815 -0.284 9.196 1.00 0.37 H new ATOM 936 P G A 12 8.744 2.178 13.562 1.00 0.56 P ATOM 937 OP1 G A 12 7.304 1.897 13.358 1.00 0.68 O ATOM 938 OP2 G A 12 9.163 2.993 14.730 1.00 0.65 O ATOM 939 O5' G A 12 9.545 0.800 13.640 1.00 0.50 O ATOM 940 C5' G A 12 9.103 -0.381 12.932 1.00 0.47 C ATOM 941 C4' G A 12 7.607 -0.540 13.044 1.00 0.42 C ATOM 942 O4' G A 12 7.044 -0.347 11.723 1.00 0.40 O ATOM 943 C3' G A 12 7.132 -1.926 13.428 1.00 0.39 C ATOM 944 O3' G A 12 7.172 -2.108 14.849 1.00 0.43 O ATOM 945 C2' G A 12 5.716 -1.964 12.854 1.00 0.35 C ATOM 946 O2' G A 12 4.739 -1.373 13.690 1.00 0.37 O ATOM 947 C1' G A 12 5.873 -1.127 11.583 1.00 0.35 C ATOM 948 N9 G A 12 6.041 -1.975 10.409 1.00 0.33 N ATOM 949 C8 G A 12 7.119 -2.010 9.560 1.00 0.36 C ATOM 950 N7 G A 12 6.990 -2.891 8.606 1.00 0.36 N ATOM 951 C5 G A 12 5.751 -3.471 8.840 1.00 0.33 C ATOM 952 C6 G A 12 5.067 -4.491 8.132 1.00 0.36 C ATOM 953 O6 G A 12 5.434 -5.107 7.124 1.00 0.40 O ATOM 954 N1 G A 12 3.832 -4.777 8.706 1.00 0.36 N ATOM 955 C2 G A 12 3.326 -4.159 9.824 1.00 0.34 C ATOM 956 N2 G A 12 2.117 -4.576 10.230 1.00 0.37 N ATOM 957 N3 G A 12 3.954 -3.208 10.493 1.00 0.31 N ATOM 958 C4 G A 12 5.152 -2.916 9.948 1.00 0.31 C ATOM 0 H5' G A 12 9.599 -1.262 13.339 1.00 0.47 H new ATOM 0 H5'' G A 12 9.389 -0.310 11.883 1.00 0.47 H new ATOM 0 H4' G A 12 7.303 0.170 13.813 1.00 0.42 H new ATOM 0 H3' G A 12 7.752 -2.736 13.044 1.00 0.39 H new ATOM 0 H2' G A 12 5.366 -2.987 12.714 1.00 0.35 H new ATOM 0 HO2' G A 12 5.082 -0.528 14.048 1.00 0.37 H new ATOM 0 H1' G A 12 4.981 -0.515 11.451 1.00 0.35 H new ATOM 0 H8 G A 12 7.985 -1.374 9.670 1.00 0.36 H new ATOM 0 H1 G A 12 3.261 -5.498 8.265 1.00 0.36 H new ATOM 0 H21 G A 12 1.684 -4.159 11.054 1.00 0.37 H new ATOM 0 H22 G A 12 1.631 -5.310 9.715 1.00 0.37 H new ATOM 970 P G A 13 6.078 -1.402 15.791 1.00 0.51 P ATOM 971 OP1 G A 13 5.574 -0.181 15.113 1.00 0.57 O ATOM 972 OP2 G A 13 6.678 -1.288 17.145 1.00 0.59 O ATOM 973 O5' G A 13 4.907 -2.479 15.874 1.00 0.57 O ATOM 974 C5' G A 13 5.187 -3.838 16.271 1.00 0.62 C ATOM 975 C4' G A 13 4.142 -4.777 15.716 1.00 0.60 C ATOM 976 O4' G A 13 4.018 -4.557 14.292 1.00 0.59 O ATOM 977 C3' G A 13 4.508 -6.245 15.810 1.00 0.59 C ATOM 978 O3' G A 13 4.159 -6.766 17.090 1.00 0.66 O ATOM 979 C2' G A 13 3.652 -6.872 14.715 1.00 0.57 C ATOM 980 O2' G A 13 2.351 -7.207 15.160 1.00 0.63 O ATOM 981 C1' G A 13 3.574 -5.750 13.675 1.00 0.54 C ATOM 982 N9 G A 13 4.414 -5.999 12.507 1.00 0.50 N ATOM 983 C8 G A 13 5.605 -5.392 12.193 1.00 0.54 C ATOM 984 N7 G A 13 6.117 -5.820 11.072 1.00 0.56 N ATOM 985 C5 G A 13 5.210 -6.769 10.621 1.00 0.50 C ATOM 986 C6 G A 13 5.227 -7.574 9.455 1.00 0.53 C ATOM 987 O6 G A 13 6.077 -7.610 8.559 1.00 0.60 O ATOM 988 N1 G A 13 4.110 -8.403 9.384 1.00 0.51 N ATOM 989 C2 G A 13 3.106 -8.446 10.321 1.00 0.48 C ATOM 990 N2 G A 13 2.110 -9.311 10.080 1.00 0.52 N ATOM 991 N3 G A 13 3.078 -7.700 11.412 1.00 0.47 N ATOM 992 C4 G A 13 4.153 -6.891 11.497 1.00 0.47 C ATOM 0 H5' G A 13 5.207 -3.909 17.359 1.00 0.62 H new ATOM 0 H5'' G A 13 6.174 -4.131 15.914 1.00 0.62 H new ATOM 0 H4' G A 13 3.247 -4.571 16.303 1.00 0.60 H new ATOM 0 H3' G A 13 5.574 -6.440 15.690 1.00 0.59 H new ATOM 0 H2' G A 13 4.074 -7.808 14.350 1.00 0.57 H new ATOM 0 HO2' G A 13 1.900 -7.745 14.476 1.00 0.63 H new ATOM 0 H1' G A 13 2.542 -5.685 13.329 1.00 0.54 H new ATOM 0 H8 G A 13 6.070 -4.638 12.811 1.00 0.54 H new ATOM 0 H1 G A 13 4.032 -9.023 8.578 1.00 0.51 H new ATOM 0 H21 G A 13 1.334 -9.391 10.737 1.00 0.52 H new ATOM 0 H22 G A 13 2.128 -9.889 9.239 1.00 0.52 H new ATOM 1004 P G A 14 4.333 -8.337 17.388 1.00 0.74 P ATOM 1005 OP1 G A 14 3.834 -8.587 18.763 1.00 0.80 O ATOM 1006 OP2 G A 14 5.720 -8.727 17.028 1.00 0.90 O ATOM 1007 O5' G A 14 3.334 -9.038 16.364 1.00 0.68 O ATOM 1008 C5' G A 14 1.998 -9.400 16.762 1.00 0.70 C ATOM 1009 C4' G A 14 1.463 -10.491 15.862 1.00 0.68 C ATOM 1010 O4' G A 14 1.504 -10.025 14.490 1.00 0.67 O ATOM 1011 C3' G A 14 2.296 -11.756 15.829 1.00 0.67 C ATOM 1012 O3' G A 14 1.957 -12.611 16.915 1.00 0.77 O ATOM 1013 C2' G A 14 1.899 -12.371 14.494 1.00 0.67 C ATOM 1014 O2' G A 14 0.697 -13.114 14.566 1.00 0.80 O ATOM 1015 C1' G A 14 1.689 -11.131 13.622 1.00 0.61 C ATOM 1016 N9 G A 14 2.845 -10.854 12.777 1.00 0.50 N ATOM 1017 C8 G A 14 3.775 -9.858 12.945 1.00 0.50 C ATOM 1018 N7 G A 14 4.708 -9.871 12.030 1.00 0.47 N ATOM 1019 C5 G A 14 4.368 -10.939 11.210 1.00 0.41 C ATOM 1020 C6 G A 14 5.007 -11.446 10.047 1.00 0.40 C ATOM 1021 O6 G A 14 6.036 -11.034 9.495 1.00 0.45 O ATOM 1022 N1 G A 14 4.327 -12.545 9.523 1.00 0.41 N ATOM 1023 C2 G A 14 3.179 -13.081 10.055 1.00 0.46 C ATOM 1024 N2 G A 14 2.669 -14.138 9.410 1.00 0.55 N ATOM 1025 N3 G A 14 2.576 -12.617 11.136 1.00 0.49 N ATOM 1026 C4 G A 14 3.221 -11.554 11.657 1.00 0.44 C ATOM 0 H5' G A 14 1.347 -8.527 16.714 1.00 0.70 H new ATOM 0 H5'' G A 14 1.999 -9.740 17.798 1.00 0.70 H new ATOM 0 H4' G A 14 0.472 -10.712 16.259 1.00 0.68 H new ATOM 0 H3' G A 14 3.368 -11.583 15.923 1.00 0.67 H new ATOM 0 H2' G A 14 2.643 -13.078 14.127 1.00 0.67 H new ATOM 0 HO2' G A 14 0.733 -13.858 13.929 1.00 0.80 H new ATOM 0 H1' G A 14 0.829 -11.303 12.974 1.00 0.61 H new ATOM 0 H8 G A 14 3.739 -9.139 13.750 1.00 0.50 H new ATOM 0 H1 G A 14 4.709 -12.982 8.685 1.00 0.41 H new ATOM 0 H21 G A 14 1.818 -14.583 9.753 1.00 0.55 H new ATOM 0 H22 G A 14 3.132 -14.498 8.575 1.00 0.55 H new ATOM 1038 P C A 15 3.054 -13.628 17.497 1.00 0.87 P ATOM 1039 OP1 C A 15 2.529 -14.216 18.754 1.00 1.02 O ATOM 1040 OP2 C A 15 4.359 -12.918 17.508 1.00 0.91 O ATOM 1041 O5' C A 15 3.126 -14.776 16.396 1.00 0.85 O ATOM 1042 C5' C A 15 1.945 -15.506 16.021 1.00 0.94 C ATOM 1043 C4' C A 15 2.277 -16.517 14.949 1.00 0.97 C ATOM 1044 O4' C A 15 2.427 -15.839 13.680 1.00 0.84 O ATOM 1045 C3' C A 15 3.621 -17.191 15.140 1.00 1.09 C ATOM 1046 O3' C A 15 3.510 -18.308 16.032 1.00 1.31 O ATOM 1047 C2' C A 15 3.965 -17.656 13.729 1.00 1.09 C ATOM 1048 O2' C A 15 3.431 -18.930 13.421 1.00 1.30 O ATOM 1049 C1' C A 15 3.309 -16.582 12.860 1.00 0.89 C ATOM 1050 N1 C A 15 4.295 -15.660 12.282 1.00 0.75 N ATOM 1051 C2 C A 15 5.113 -16.116 11.243 1.00 0.77 C ATOM 1052 O2 C A 15 4.978 -17.277 10.833 1.00 0.89 O ATOM 1053 N3 C A 15 6.027 -15.284 10.714 1.00 0.70 N ATOM 1054 C4 C A 15 6.147 -14.044 11.178 1.00 0.66 C ATOM 1055 N4 C A 15 7.065 -13.267 10.620 1.00 0.71 N ATOM 1056 C5 C A 15 5.329 -13.550 12.234 1.00 0.64 C ATOM 1057 C6 C A 15 4.422 -14.385 12.754 1.00 0.66 C ATOM 0 H5' C A 15 1.182 -14.817 15.658 1.00 0.94 H new ATOM 0 H5'' C A 15 1.529 -16.012 16.892 1.00 0.94 H new ATOM 0 H4' C A 15 1.467 -17.245 14.993 1.00 0.97 H new ATOM 0 H3' C A 15 4.376 -16.538 15.578 1.00 1.09 H new ATOM 0 H2' C A 15 5.040 -17.767 13.584 1.00 1.09 H new ATOM 0 HO2' C A 15 3.099 -19.352 14.241 1.00 1.30 H new ATOM 0 HO3' C A 15 4.388 -18.729 16.140 1.00 1.31 H new ATOM 0 H1' C A 15 2.789 -17.073 12.038 1.00 0.89 H new ATOM 0 H41 C A 15 7.189 -12.309 10.947 1.00 0.71 H new ATOM 0 H42 C A 15 7.647 -13.627 9.864 1.00 0.71 H new ATOM 0 H5 C A 15 5.437 -12.540 12.601 1.00 0.64 H new ATOM 0 H6 C A 15 3.783 -14.047 13.556 1.00 0.66 H new TER 1069 C A 15